6-Methyl-4,5-diphenyl-5h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Basic information
- CAS
5306-82-1- Standard SMILES
Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1- InChIKey
OABKLXSTDIQNIN-UHFFFAOYSA-N- Molecular formula
- C20H14N4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12184646
Names & identifiers
- Preferred name
- 6-Methyl-4,5-diphenyl-5h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
- IUPAC
- 6-methyl-4,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
Names & synonyms
6-methyl-4,5-diphenyl-5h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile6-methyl-4,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrileSMR000102633MLS000105655CBMicro_013496Cambridge id 5306821Oprea1_748716cid_793776CHEMBL1510609BDBM50842DTXSID90201125HMS2403F19
Show more names
SMSF0005485CB05710BIM-0013556.P0016-methyl-4,5-diphenyl-7-pyrrolo[3,2-d]pyrimidinecarbonitrile6-methyl-4,5-diphenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Database identifiers
- CAS
5306-82-1- PubChem CID
- 793776
- DTXSID
DTXSID90201125- ChEMBL
CHEMBL1510609
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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